|
456. NMR: Interactive Simulation of NMR Spectra
by A. Ellison, School of Science, Hull College of Higher Education, Hull, England The program calculates the frequencies and intensities of the lines expected in the NMR spectrum for a system of two to six nuclei with spin I = 1/2. Display of the spectrum is afforded by means of a computer-generated "stick" spectrum. The program has been written and tested using a Norsk Data NORD-100 computer with 2 Kb cache, 1 Mb main memory and 180 Mb disk storage. The six-spin version of the program has the following storage requirements: source program, 20 Kb; runtime, 90 Kb. These requirements may be altered (cf. documentation). PASCAL (NORD-100) Lines of Code: 889 |